N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

C14H16N2OS2 — CID 2945978

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC1CCc2nc(NC(=O)Cc3cccs3)sc2C1
InChIInChI=1S/C14H16N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16,17)
InChIKeyKQPCZFONEGBNHT-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.51
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2945978) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2945978
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC1CCc2nc(NC(=O)Cc3cccs3)sc2C1
InChIInChI=1S/C14H16N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16,17)
InChIKeyKQPCZFONEGBNHT-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 2945978) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CC1CCc2nc(NC(=O)Cc3cccs3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KQPCZFONEGBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 292.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2945978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).